Basic information
- CAS
3686-69-9- Standard SMILES
CCCOc1ccc(C(=O)OCC[NH+]2CCCC2)cc1.[Cl-]- InChIKey
GMWSUJWYXLPLLA-UHFFFAOYSA-N- Molecular formula
- C16H24ClNO3
- Average molar mass
- 313.82 g/mol
- Monoisotopic mass
- 313.1444713
Names & identifiers
- Preferred name
- 2-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- 2-pyrrolidin-1-ium-1-ylethyl 4-propoxybenzoate chloride
Names & synonyms
3686-69-9DTXSID509580622-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1)RefChem:1062056DTXCID401385980p-Propoxybenzoic acid 2-(1-pyrrolidinyl)ethyl ester hydrochloride1-Rbo-12-ANSC 2333BENZOIC ACID, p-PROPOXY-, 2-(1-PYRROLIDINYL)ETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
3686-69-9- PubChem CID
- 19381
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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